پژوهش های نوین فیزیک

بررسی ظرفیت کوانتومی به منظور ذخیره سازی بار الکتریکی در نانونوار آلومینیوم نیترید آلاییده با اتم منگنز مبتنی بر نظریه تابعی چگالی

نویسندگان

کیوان مرادیان
مجید واعظ زاده

دانشگاه خواجه نصیر الدین طوسی

https://doi.org/10.61882/jmrph.9.2.26
چکیده
در این پژوهش با استفاده از محاسبات شبیه سازی کوانتومی مبتنی بر نظریه تابعی چگالی به بررسی رفتار الکترونی و ظرفیت کوانتومی نانونوار AlN با حضور ناخالصی مغناطیسی اتم منگنز پرداخته شده است. نتایج الکترونی نشان می دهد که آلایش این نانونوار با اتم منگنز، سبب ایجاد یک قطبش اسپینی اطراف سطح فرمی شده و تراکم چگالی حالات در دو کانال اسپینی اطراف سطح فرمی متفاوت می­باشد. همچنین در ادامه ظرفیت کوانتومی این ترکیب و چگالی بار سطحی الکتریکی که ناشی از تجمع بار الکتریکی در حالت های اطراف سطح فرمی می باشد، مورد بررسی و مطالعه قرار گرفته است. تمامی پیکربندی های احتمالی برای جایگاه اتم آلاییده منگنز مورد بررسی قرار گرفت. نتایج نشان داد که موقعیت اتم ناخالصی تاثیر بسیار چشمگیری در ظرفیت کوانتومی و چگالی بار سطحی ترکیب نسبت به حالت خالص را دارا می باشد. نتایج حاصل از این پژوهش می تواند به عنوان زیر بنای جدیدی برای استفاده از نانونوارهای آلاییده با فلزات مغناطیسی به منظور کاربردهای ذخیره بار و انرژی مورد استفاده قرار گیرد.

کلیدواژه‌ها

ظرفیت کوانتومی
نظریه تابعی چگالی
نانونوار AlN
چگالی حالات الکترونی

عنوان مقاله English

Investigation of quantum capacitance of Mn-doped AlN nanoribbon for charge storage application based on density functional theory

نویسنده English

majid vaezzadeh
K.N.Toosi University
چکیده English

In this study, quantum simulation calculations based on density functional theory (DFT) were used to investigate the electronic behavior and quantum capacitance of an AlN nanoribbon with a manganese magnetic impurity. The electronic results indicate that doping this nanoribbon with a manganese atom creates spin polarization around the Fermi level, and the density of states in the two spin channels differs around the Fermi level. Furthermore, the quantum capacitance of this compound and the surface electric charge density, arising from the accumulation of electric charge in the states around the Fermi level, were examined. All possible configurations for the position of the doped manganese atom were investigated. The results showed that the impurity atom's location significantly impacts the quantum capacitance and surface charge density of the compound compared to its pure state. The findings of this study can serve as a new foundation for utilizing nanoribbons doped with magnetic metals for charge and energy storage applications

کلیدواژه‌ها English

Quantum capacitance
density functional theory
AlN nanoribbon
Density of States
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